In silico screening for antibiotic escort molecules to overcome efflux

Journal of Molecular Modeling

Volumn 17, Issue 11, 2011, Pages 2863-2872

  Rahman, Sheikh S ^a   Simovic, Ivana ^a   Gibbons, Simon ^a   Zloh, Mire ^a  

^a UNIVERSITY OF LONDON   (United Kingdom)

Author keywords

Efflux pumps; Escort molecules; In silico screening; MDR; Molecular interaction fields; Multidrug resistance

Indexed keywords

ALPRENOLOL; APOMORPHINE; ASPARTAME; ATORVASTATIN; BERGAPTEN; BETAXOLOL; BIRICODAR; CARBOXYLIC ACID; CHLORPROMAZINE; CIPROFLOXACIN; COCAINE; DEMECOLCINE; ELACRIDAR; EPICATECHIN GALLATE; EPIGALLOCATECHIN GALLATE; GATIFLOXACIN; HYDROXYZINE; INDOMETACIN; LIDOCAINE; MEMBRANE PROTEIN; NAPROXEN; NORFLOXACIN; OFLOXACIN; PAROXETINE; PHEOPHORBIDE; PRIDINOL; QUINOLINE DERIVED ANTIINFECTIVE AGENT; RESERPINE; TIMCODAR; VERAPAMIL;

ANTIBACTERIAL ACTIVITY; ARTICLE; BACTERIAL CELL; BINDING AFFINITY; COMPLEX FORMATION; COMPUTER MODEL; DATA BASE; DRUG ACTIVITY; DRUG POTENTIATION; DRUG SCREENING; DRUG STRUCTURE; DRUG TRANSPORT; EFFLUX PUMP; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR INTERACTION; MULTIDRUG RESISTANCE; NONHUMAN; PRIORITY JOURNAL; STAPHYLOCOCCUS AUREUS; STATIC ELECTRICITY;

ANTI-BACTERIAL AGENTS; BACTERIAL PROTEINS; DRUG INTERACTIONS; DRUG RESISTANCE, MULTIPLE, BACTERIAL; MEMBRANE TRANSPORT PROTEINS; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NORFLOXACIN; P-GLYCOPROTEIN;

BACTERIA (MICROORGANISMS);

EID: 80255127409     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-0978-7     Document Type: Article

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